SCHEMBL4500355

SCHEMBL4500355

COc1ccc(C2=CCC(C)(C)c3cc(Br)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.50
RARB P10826 7/20 0.50
RARG P13631 7/20 0.50
CYP3A4 P08684 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BACE1 P56817 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
ALKBH3 Q96Q83 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3897864 0.84 RARB (0.50) RARARARBRARGRXRANR2E1
SCHEMBL4497879 0.84 RARB (0.48) RARARARBRARGCYP3A4BACE1
SCHEMBL4506548 0.83 RARB (0.49) RARARARBRARGRXRANR2E1
SCHEMBL4506811 0.82 RARB (0.39) RARARARBRARGTP53RXRA
SCHEMBL4506103 0.81 RARB (0.37) RARARARBRARGRXRANR2E1
SCHEMBL4492045 0.81 RARB (0.50) RARARARBRARGRXRANR2E1
SCHEMBL5328434 0.72 RARB (0.56) RARARARBRARGRXRANR2E1
SCHEMBL4419888 0.72 PGR (0.38) RARARARBRARGBACE1
SCHEMBL8710667 0.72 RARA (0.53) RARARARBRARGMEN1KMT2A
SCHEMBL1143591 0.71 MPO (0.42) CYP3A4MEN1KMT2ABACE1GABRP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592478-B2 Ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-09-22 US disclosed
US-20080213347-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. 2008-09-04 US disclosed
US-7348449-B2 Ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-03-25 US disclosed
EP-1565433-B1 NOVEL LIGANDS THAT ARE ANTAGONISTS OF RAR RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2007-03-14 EP disclosed
US-20050234131-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-10-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050234131-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof RARB, RARG, RARA RARA 3/4885RARB 1/4885RARG 2/4885
US-20080213347-A1 Novel ligand antagonists of RAR receptors and pharmaceutical/cosmetic applications thereof RARB, RARG, RARA RARA 3/4885RARB 1/4885RARG 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.